8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione

C9H12N6O2 — CID 823143

IUPAC8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
SMILESC=CCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H12N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3H,1,4,10H2,2H3,(H,11,13)(H,12,16,17)
InChIKeyQKWUSELXJUMWCU-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.11
Rot. Bonds3

About 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione

8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione (PubChem CID 823143) has the molecular formula C9H12N6O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione.

Molecular Properties

Compound Name8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
PubChem CID823143
Molecular FormulaC9H12N6O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione
SMILESC=CCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C9H12N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3H,1,4,10H2,2H3,(H,11,13)(H,12,16,17)
InChIKeyQKWUSELXJUMWCU-UHFFFAOYSA-N
XLogP-1.11
TPSA110.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-chlorobut-2-enyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 819226
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512
7-(2,3-dihydroxypropyl)-8-hydrazinyl-3-methylpurine-2,6-dione
CID 3144865
8-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 135470935
8-ethylsulfanyl-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 823109
8-[2-[(4-bromophenyl)methylidene]hydrazinyl]-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 3101151
3-methyl-7-nonyl-8-(prop-2-enylamino)purine-2,6-dione
CID 3696919
3-methyl-8-phenylsulfanyl-7-prop-2-enylpurine-2,6-dione
CID 1092001
3-methyl-8-(3-methylbutylsulfanyl)-7-prop-2-enylpurine-2,6-dione
CID 747121
8-(2-hydroxypropylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione
CID 3106067
8-amino-7-ethyl-3-methylpurine-2,6-dione;ethenamine;molecular hydrogen
CID 143283838
7-[(2-chloro-6-fluorophenyl)methyl]-8-hydrazinyl-3-methylpurine-2,6-dione
CID 53275887

Frequently Asked Questions

What is the IUPAC name of 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione?
The IUPAC name of 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione (CID 823143) is 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione.
What is the SMILES notation for 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione?
The canonical SMILES for 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione is C=CCn1c(NN)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione?
The InChIKey is QKWUSELXJUMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O2/c1-3-4-15-5-6(11-8(15)13-10)14(2)9(17)12-7(5)16/h3H,1,4,10H2,2H3,(H,11,13)(H,12,16,17).
What are the key properties of 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione?
8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydrazinyl-3-methyl-7-prop-2-enylpurine-2,6-dione is sourced from PubChem (CID 823143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).